3-chloro-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Chemical Structure Depiction of
3-chloro-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
3-chloro-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide
Compound characteristics
| Compound ID: | V030-0982 |
| Compound Name: | 3-chloro-N-(4-{[4-(4-fluoroanilino)-1-(4-fluorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzamide |
| Molecular Weight: | 561.99 |
| Molecular Formula: | C29 H18 Cl F2 N3 O3 S |
| Salt: | not_available |
| Smiles: | c1cc(cc(c1)[Cl])C(Nc1ccc(cc1)SC1=C(C(N(C1=O)c1ccc(cc1)F)=O)Nc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9689 |
| logD: | 5.9677 |
| logSw: | -6.2977 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.083 |
| InChI Key: | PSIGMSXCLLJHLY-UHFFFAOYSA-N |